4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one

C20H17FN4O2 — CID 10361398

IUPAC4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one
SMILESCOc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1F
InChIInChI=1S/C20H17FN4O2/c1-27-18-7-6-14(12-17(18)21)19-15-4-2-3-5-16(15)20(26)25(23-19)11-10-24-9-8-22-13-24/h2-9,12-13H,10-11H2,1H3
InChIKeyADQLFCFBKUHYJE-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.11
Rot. Bonds5

About 4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one

4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one (PubChem CID 10361398) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one
PubChem CID10361398
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one
SMILESCOc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1F
InChIInChI=1S/C20H17FN4O2/c1-27-18-7-6-14(12-17(18)21)19-15-4-2-3-5-16(15)20(26)25(23-19)11-10-24-9-8-22-13-24/h2-9,12-13H,10-11H2,1H3
InChIKeyADQLFCFBKUHYJE-UHFFFAOYSA-N
XLogP3.11
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one (CID 10361398) is 4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one is COc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one?
The InChIKey is ADQLFCFBKUHYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-27-18-7-6-14(12-17(18)21)19-15-4-2-3-5-16(15)20(26)25(23-19)11-10-24-9-8-22-13-24/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one?
4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one has a molecular weight of 364.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one is sourced from PubChem (CID 10361398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).